============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 8 1.000 43.965 34.884 -7.876 -99.200 -91.000 HIS 31 0.900 36.401 36.790 2.511 -99.200 -91.000 PHE 38 1.000 50.524 29.202 2.466 -99.200 -91.000 TRP 40 1.040 44.581 25.694 5.900 -99.200 -91.000 TRP6 40 1.020 45.103 27.948 6.320 -99.200 -91.000 TYR 52 0.840 43.512 24.759 17.782 -99.200 -91.000 HIS 53 0.900 41.749 33.484 19.276 -99.200 -91.000 PHE 55 1.000 44.361 27.981 13.198 -99.200 -91.000 HIS 60 0.900 40.288 28.273 4.324 -99.200 -91.000 HIS 61 0.900 35.675 32.592 -0.536 -99.200 -91.000 HIS 62 0.900 35.526 26.381 -6.440 -99.200 -91.000 TYR 64 0.840 38.058 37.410 -8.485 -99.200 -91.000 PHE 67 1.000 36.080 37.628 -2.933 -99.200 -91.000 PHE 82 1.000 38.018 50.376 -2.830 -99.200 -91.000 HIS 92 0.900 48.296 53.275 1.185 -99.200 -91.000 TYR 97 0.840 40.525 52.009 1.916 -99.200 -91.000 TYR 102 0.840 33.952 41.924 0.128 -99.200 -91.000 PHE 105 1.000 45.803 43.294 0.168 -99.200 -91.000 TYR 115 0.840 41.281 35.628 -13.985 -99.200 -91.000 TYR 148 0.840 46.806 48.394 12.088 -99.200 -91.000 TRP 151 1.040 40.200 49.341 12.568 -99.200 -91.000 TRP6 151 1.020 41.584 48.440 14.249 -99.200 -91.000 TYR 156 0.840 42.921 53.622 14.162 -99.200 -91.000